Molecule

ID:69647

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₃
Molecular Mass
150.13144
Exact Mass
150.03169405
Charge
0
InChI
InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
InChIKey
UHDNUPHSDMOGCR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(ccc1)C=O)O
Calculated Properties
JChem
Acid pKa
3.9201772
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.24292205
LogD (pH = 7.4)
-1.859719
Log P
1.3433311
Molar Refractivity
39.8982
Polarizability
14.580181
Polar Surface Area
54.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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